[4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate

C12H15N3O9 — CID 16663501

IUPAC[4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate
SMILESCOCC(=O)Oc1nc(OC(=O)COC)nc(OC(=O)COC)n1
InChIInChI=1S/C12H15N3O9/c1-19-4-7(16)22-10-13-11(23-8(17)5-20-2)15-12(14-10)24-9(18)6-21-3/h4-6H2,1-3H3
InChIKeyRQTPHFIXXPHRSU-UHFFFAOYSA-N
MW345.26 g/mol
LogP-1.47
Rot. Bonds9

About [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate

[4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate (PubChem CID 16663501) has the molecular formula C12H15N3O9 and a molecular weight of 345.26 g/mol. Its IUPAC name is [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate
PubChem CID16663501
Molecular FormulaC12H15N3O9
Molecular Weight345.26 g/mol
Exact Mass345.08
IUPAC Name[4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate
SMILESCOCC(=O)Oc1nc(OC(=O)COC)nc(OC(=O)COC)n1
InChIInChI=1S/C12H15N3O9/c1-19-4-7(16)22-10-13-11(23-8(17)5-20-2)15-12(14-10)24-9(18)6-21-3/h4-6H2,1-3H3
InChIKeyRQTPHFIXXPHRSU-UHFFFAOYSA-N
XLogP-1.47
TPSA145.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.26
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Ethyl {[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}acetate
CID 657597
2-[[4,6-Bis(1-carboxyethoxy)-1,3,5-triazin-2-yl]oxy]propanoic acid
CID 59772069
Ethyl [(4,6-dichloro-1,3,5-triazin-2-yl)oxy]acetate
CID 60057169
Methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine
CID 69403457
2-[[4-(Carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid
CID 158815151
Methyl 2-[[4,6-bis(2-methoxy-2-oxoethoxy)-1,3,5-triazin-2-yl]oxy]acetate
CID 168105148
2-O-[4,6-bis[(2-ethoxy-2-oxoacetyl)oxy]-1,3,5-triazin-2-yl] 1-O-ethyl oxalate
CID 16663500
2-[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid
CID 114335242
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid
CID 114335264

Frequently Asked Questions

What is the IUPAC name of [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate?
The IUPAC name of [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate (CID 16663501) is [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate.
What is the SMILES notation for [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate?
The canonical SMILES for [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate is COCC(=O)Oc1nc(OC(=O)COC)nc(OC(=O)COC)n1.
What is the InChIKey of [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate?
The InChIKey is RQTPHFIXXPHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O9/c1-19-4-7(16)22-10-13-11(23-8(17)5-20-2)15-12(14-10)24-9(18)6-21-3/h4-6H2,1-3H3.
What are the key properties of [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate?
[4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate has a molecular weight of 345.26 g/mol, XLogP of -1.47, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate is sourced from PubChem (CID 16663501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).